2XCK
Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-01 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 123.115, 123.115, 47.240 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.19495 |
| Rwork | 0.193 |
| R-free | 0.23969 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1w |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.701 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.100 | 0.510 |
| Number of reflections | 18571 | |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2.0 M AMMONIUM SULFATE, 0.1 M TRIS PH 8.5 |
